ethyl (4R)-2-azanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl (4R)-2-azanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl (4R)-2-amino-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: (4R)-2-amino-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-amino-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: (4R)-2-amino-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C22H26N3O5+ MolecularWeight: 412.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC(=C(C(=C2)OC)OC)OC)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+][C@@H]1C2=CC(=C(C(=C2)OC)OC)OC)N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-5-30-21(26)17-18(13-9-7-6-8-10-13)24-22(23)25-19(17)14-11-15(27-2)20(29-4)16(12-14)28-3/h6-12,19H,5H2,1-4H3,(H3,23,24,25)/p+1/t19-/m1/s1